6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one

C23H15Cl3O3 — CID 21001716

IUPAC6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2oc3c(Cl)cc(Cl)cc3c(=O)c2OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H15Cl3O3/c1-13-5-7-15(8-6-13)21-23(28-12-14-3-2-4-16(24)9-14)20(27)18-10-17(25)11-19(26)22(18)29-21/h2-11H,12H2,1H3
InChIKeyHIURFIHKUPJBGF-UHFFFAOYSA-N
MW445.73 g/mol
LogP7.31
Rot. Bonds4

About 6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one

6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one (PubChem CID 21001716) has the molecular formula C23H15Cl3O3 and a molecular weight of 445.73 g/mol. Its IUPAC name is 6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
PubChem CID21001716
Molecular FormulaC23H15Cl3O3
Molecular Weight445.73 g/mol
Exact Mass444.01
IUPAC Name6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2oc3c(Cl)cc(Cl)cc3c(=O)c2OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H15Cl3O3/c1-13-5-7-15(8-6-13)21-23(28-12-14-3-2-4-16(24)9-14)20(27)18-10-17(25)11-19(26)22(18)29-21/h2-11H,12H2,1H3
InChIKeyHIURFIHKUPJBGF-UHFFFAOYSA-N
XLogP7.31
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.73
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one
CID 7747823
6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
CID 21000417
ethyl 4-[(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoate
CID 21001647
6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746678
2-(4-tert-butylphenyl)-3-[(3-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999553
3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999766
6,8-dichloro-2-(4-methylphenyl)-3-(2-morpholin-4-ylethoxy)chromen-4-one
CID 21001713
6,8-dichloro-2-(4-methylphenyl)-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one
CID 21001730
6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one
CID 21000612
2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid
CID 7747825
3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999859
6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one
CID 7746663

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one?
The IUPAC name of 6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one (CID 21001716) is 6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one is Cc1ccc(-c2oc3c(Cl)cc(Cl)cc3c(=O)c2OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one?
The InChIKey is HIURFIHKUPJBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl3O3/c1-13-5-7-15(8-6-13)21-23(28-12-14-3-2-4-16(24)9-14)20(27)18-10-17(25)11-19(26)22(18)29-21/h2-11H,12H2,1H3.
What are the key properties of 6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one?
6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one has a molecular weight of 445.73 g/mol, XLogP of 7.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 21001716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).